SCHEMBL11243631

SCHEMBL11243631

CCC(Oc1ccc(-c2noc3ccccc23)c(C)c1C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PTPN1 P18031 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
HIF1A Q16665 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11247085 0.89 FFAR4 (0.45) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11234752 0.86 FFAR4 (0.61) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11243606 0.79 FFAR4 (0.55) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11247022 0.76 ALDH1A1 (0.47) FFAR4ESR1ESR2PTPN1NPSR1
SCHEMBL11283740 0.75 FFAR4 (0.58) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11257225 0.72 FFAR4 (0.63) FFAR4PPARGESR1ESR2PTPN1
SCHEMBL10658761 0.72 PPARA (0.39) PPARAPPARGSMN1; SMN2PPARDPTGDR2
SCHEMBL10665132 0.71 PPARA (0.40) FFAR4PPARAPPARGNPSR1SMN1; SMN2
SCHEMBL11255027 0.70 FFAR4 (0.63) FFAR4ESR1ESR2PTPN1SMN1; SMN2
SCHEMBL10657410 0.70 MAPT (0.41) PPARAPPARGSMN1; SMN2PPARDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US disclosed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP disclosed